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3,5,5-Trimethylhexanamide, N-(2-phenylethyl)-N-heptyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

3,5,5-Trimethylhexanamide, N-(2-phenylethyl)-N-heptyl-
SpectraBase Compound ID FexCmDoD1x8
InChI InChI=1S/C24H41NO/c1-6-7-8-9-13-17-25(18-16-22-14-11-10-12-15-22)23(26)19-21(2)20-24(3,4)5/h10-12,14-15,21H,6-9,13,16-20H2,1-5H3
InChIKey BNFMJWHXXXUVGF-UHFFFAOYSA-N
Mol Weight 359.6 g/mol
Molecular Formula C24H41NO
Exact Mass 359.318815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HSa4adE3m0p
Name 3,5,5-Trimethylhexanamide, N-(2-phenylethyl)-N-heptyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.318814943 u
Formula C24H41NO
InChI InChI=1S/C24H41NO/c1-6-7-8-9-13-17-25(18-16-22-14-11-10-12-15-22)23(26)19-21(2)20-24(3,4)5/h10-12,14-15,21H,6-9,13,16-20H2,1-5H3
InChIKey BNFMJWHXXXUVGF-UHFFFAOYSA-N
Molecular Weight 359.598 g/mol
SMILES C(CC(CC(N(CCCCCCC)CCC1=CC=CC=C1)=O)C)(C)(C)C